Information card for entry 8105270
Formula |
C11 H8 F3 N O2 |
Calculated formula |
C11 H8 F3 N O2 |
Title of publication |
The crystal structure of 2,2,2-trifluoro-1-(isoquinolin-1-yl)ethane-1,1-diol, C11H8F3NO2 |
Authors of publication |
Yi, Qin; Zhu, Xiong; Zhang, Ji-Run; Zhou, Zhi-Xu; Zhao, Chun-Shen |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
2020 |
Journal volume |
235 |
Journal issue |
3 |
Pages of publication |
729 - 730 |
a |
8.6599 ± 0.0008 Å |
b |
11.6216 ± 0.0012 Å |
c |
10.0903 ± 0.0009 Å |
α |
90° |
β |
93.393 ± 0.002° |
γ |
90° |
Cell volume |
1013.73 ± 0.17 Å3 |
Cell temperature |
273 ± 2 K |
Ambient diffraction temperature |
273 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0474 |
Residual factor for significantly intense reflections |
0.0352 |
Weighted residual factors for significantly intense reflections |
0.0894 |
Weighted residual factors for all reflections included in the refinement |
0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.056 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/8105270.html